N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide

C28H26F5N5O2S — CID 71666961

About N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide

N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 71666961) has the molecular formula C28H26F5N5O2S and a molecular weight of 591.61 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

• Compound Name: N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide
• PubChem CID: 71666961
• Molecular Formula: C28H26F5N5O2S
• Molecular Weight: 591.61 g/mol
• Exact Mass: 591.17
• IUPAC Name: N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide
• SMILES: Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C(C)(C)O)cc(S(F)(F)(F)(F)F)c1
• InChI: InChI=1S/C28H26F5N5O2S/c1-17-10-18(2)25(37-8-9-38-26(37)15-24(36-38)19-6-5-7-34-16-19)14-23(17)35-27(39)20-11-21(28(3,4)40)13-22(12-20)41(29,30,31,32)33/h5-16,40H,1-4H3,(H,35,39)
• InChIKey: LIHRVKXUVBRZGF-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 84.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.61
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide?

The IUPAC name of N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 71666961) is N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide.

What is the SMILES notation for N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide?

The canonical SMILES for N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide is Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C(C)(C)O)cc(S(F)(F)(F)(F)F)c1.

What is the InChIKey of N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide?

The InChIKey is LIHRVKXUVBRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F5N5O2S/c1-17-10-18(2)25(37-8-9-38-26(37)15-24(36-38)19-6-5-7-34-16-19)14-23(17)35-27(39)20-11-21(28(3,4)40)13-22(12-20)41(29,30,31,32)33/h5-16,40H,1-4H3,(H,35,39).

What are the key properties of N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide?

N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 591.61 g/mol, XLogP of 7.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[2,1-e]pyrazol-1-yl)phenyl]-3-(2-hydroxypropan-2-yl)-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 71666961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).